UCSF

ZINC20766791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 6.02 -46.27 3 7 1 75 419.452 7
Mid Mid (pH 6-8) 2.89 3.81 -12.53 2 7 0 74 418.444 7
Mid Mid (pH 6-8) 2.89 6.04 -47.23 3 7 1 75 419.452 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )